2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol

C14H22N2O3 — CID 110935652

IUPAC2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCC(O)COCC2CC2)n1
InChIInChI=1S/C14H22N2O3/c1-10-2-5-14(18)13(16-10)7-15-6-12(17)9-19-8-11-3-4-11/h2,5,11-12,15,17-18H,3-4,6-9H2,1H3
InChIKeyHPJOSISMKJBLGH-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.97
Rot. Bonds8

About 2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol

2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol (PubChem CID 110935652) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol
PubChem CID110935652
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCC(O)COCC2CC2)n1
InChIInChI=1S/C14H22N2O3/c1-10-2-5-14(18)13(16-10)7-15-6-12(17)9-19-8-11-3-4-11/h2,5,11-12,15,17-18H,3-4,6-9H2,1H3
InChIKeyHPJOSISMKJBLGH-UHFFFAOYSA-N
XLogP0.97
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Pirbuterol
CID 4845
Pirbuterol monohydrochloride
CID 3061720
Pirbuterol Hydrochloride
CID 68658
Pirbuterol, (R)-
CID 3246659
2,6-Bis((dimethylamino)methyl)-3-pyridinol
CID 252256
5-Hydroxy-2-(1-hydroxy-2-tert-butylaminoethyl)-pyridine
CID 12397272
6-[2-(Tert-butylamino)-1-hydroxyethyl]-2-methylpyridin-3-ol
CID 12397274
6-Methyl-2-[(3-methylanilino)methyl]pyridin-3-ol
CID 71984764
(S)-Pirbuterol
CID 45356253
2-(Aminomethyl)-6-methylpyridin-3-ol hydrochloride
CID 137935843
2-[(Dimethylamino)methyl]-6-methyl-3-pyridinol
CID 23333794
2-[[Cyclopropylmethyl(prop-2-ynyl)amino]methyl]-6-methylpyridin-3-ol
CID 84593641

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol (CID 110935652) is 2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNCC(O)COCC2CC2)n1.
What is the InChIKey of 2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is HPJOSISMKJBLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-2-5-14(18)13(16-10)7-15-6-12(17)9-19-8-11-3-4-11/h2,5,11-12,15,17-18H,3-4,6-9H2,1H3.
What are the key properties of 2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol?
2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 266.34 g/mol, XLogP of 0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 110935652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).